CAS 61312-84-3

Butanoic acid, 3-oxo-, (4-nitrophenyl)methyl ester

Description:

Butanoic acid, 3-oxo-, (4-nitrophenyl)methyl ester, with the CAS number 61312-84-3, is an organic compound characterized by its ester functional group and a butanoic acid backbone. This compound features a ketone group at the 3-position of the butanoic acid chain, which contributes to its reactivity and potential applications in organic synthesis. The presence of the (4-nitrophenyl)methyl group indicates that it has a nitrophenyl moiety, which can enhance its electrophilic properties and may influence its solubility and polarity. Typically, esters like this one are known for their pleasant odors and are often used in flavoring and fragrance applications. Additionally, the nitro group can impart unique electronic properties, making this compound of interest in medicinal chemistry and material science. Its synthesis and reactivity can be explored in various chemical reactions, including nucleophilic substitutions and condensation reactions, making it a versatile intermediate in organic synthesis.

Formula: C₁₁H₁₁NO₅

InChI: InChI=1/C11H11NO5/c1-8(13)6-11(14)17-7-9-2-4-10(5-3-9)12(15)16/h2-5H,6-7H2,1H3

InChI key: InChIKey=KQPGVCMZXFBYMM-UHFFFAOYSA-N

SMILES: C(OC(CC(C)=O)=O)C1=CC=C(N(=O)=O)C=C1

Synonyms:

• 4-Nitrobenzyl 3-Oxobutanoate
• 4-Nitrobenzyl Acetoacetate
• 4-Nitrobenzyl acetoacetate (30% in toluene)
• 4-Nitrobenzyl acetylacetate
• Acetoacetic acid, p-nitrobenzyl ester
• Acetoacetic acid, p-nitrobenzyl ester (30% in toluene)
• Butanoic acid, 3-oxo-, (4-nitrophenyl)methyl ester
• P-Nitro Benzyl Acetoacetate
• P-nitrobenzyl Acetoacetate
• Para Nitro Benzyl Acetoacetate
• Pnbatat
• p-Nitrobenzyl 3-oxobutanoate
• p-Nitrobenzylacetoacetate Solution (30%)

4-Nitrobenzyl Acetoacetate

CAS: 61312-84-3

Formula: C₁₁H₁₁NO₅

Purity: >98.0%(T)(HPLC)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 237.21

Ref: 3B-N0875

4-Nitrobenzyl 3-oxobutanoate

CAS: 61312-84-3

Formula: C₁₁H₁₁NO₅

Purity: 96%

Color and Shape: Solid

Molecular weight: 237.2087

Ref: IN-DA003BWK

(4-Nitrophenyl)methyl 3-oxobutanoate

CAS: 61312-84-3

(4-Nitrophenyl)methyl 3-oxobutanoate

Purity: 98%

Molecular weight: 237.21g/mol

Ref: 54-OR1008174

4-Nitrobenzyl acetoacetate

CAS: 61312-84-3

Formula: C₁₁H₁₁NO₅

Purity: 95%

Color and Shape: Solid

Molecular weight: 237.211

Ref: 10-F023323

4-Nitrobenzyl Acetoacetate

Controlled Product

CAS: 61312-84-3

Applications 4-Nitrobenzyl Acetoacetate acts as a reagent in the preparation of panipenem via esterification of nitrobenzyl alcohol followed by substitution, cyclizations and hydrogenation. Panipenem I is a new carbapenem antibiotic for the treatment of inflammation.
References Fang, H., et al.: hongguo Yaowu Huaxue Zazhi, 21, 216 (2011)

Formula: C₁₁H₁₁NO₅

Color and Shape: Neat

Molecular weight: 237.21

Ref: TR-N495430